(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C15H27F2NO — CID 105189260

IUPAC(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)C2CCC(F)(F)CC2)C(C)(C)O1
InChIInChI=1S/C15H27F2NO/c1-13(2)9-11(14(3,4)19-13)12(18)10-5-7-15(16,17)8-6-10/h10-12H,5-9,18H2,1-4H3
InChIKeyJRVMWYWALDEPTB-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.73
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 105189260) has the molecular formula C15H27F2NO and a molecular weight of 275.38 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID105189260
Molecular FormulaC15H27F2NO
Molecular Weight275.38 g/mol
Exact Mass275.21
IUPAC Name(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)C2CCC(F)(F)CC2)C(C)(C)O1
InChIInChI=1S/C15H27F2NO/c1-13(2)9-11(14(3,4)19-13)12(18)10-5-7-15(16,17)8-6-10/h10-12H,5-9,18H2,1-4H3
InChIKeyJRVMWYWALDEPTB-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 105189260) is (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CC1(C)CC(C(N)C2CCC(F)(F)CC2)C(C)(C)O1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is JRVMWYWALDEPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO/c1-13(2)9-11(14(3,4)19-13)12(18)10-5-7-15(16,17)8-6-10/h10-12H,5-9,18H2,1-4H3.
What are the key properties of (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 275.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105189260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).